Geometry & MOs

Info

ID:	289146
PubChem CID:	104337560
Reduced:	FON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	311.09039
ΔH_f, kcal/mol:	-45.12
Dipole, Da:	3.08
IP(EA), eV:	-9.23(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(difluoromethylsulfanyl)phenyl]-2-(ethoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)NC)C2=C(C=C(C=C2)F)C

DOS

IR

Vibrations